Structure of PDB 7o71 Chain B Binding Site BS01

Receptor Information
>7o71 Chain B (length=455) Species: 4952 (Yarrowia lipolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYGGLKDQDRIFQNLYDNYGWDLASARKQGDWYKTKELILKGDTWIIDEI
KKSGLRGRGGAGFPSGLKWSFMNPPGWEKNEGPRYLVVNADEGEPGTCKD
REIMRKDPHKLVEGCLLAGRAMNATAAYIYIRGEFYNEAAVLQTAINEAY
AAGLIGKDACGSGYDFDVYIHRGMGAYVCGEETSLIESLEGKAGKPRLKP
PFPAGVGLFGRPSTVTNVETVAVAPTILRRGGDWFASFGRERNSGTKLFC
ISGNVNEPCTVEEEMSIPLRELLEKHCGGIKGGWDNLLGVIPGGCSVPIL
PKNICEDVLMDFDALKDVQSGLGTAAVIVINKQQDVIRAIQRFAAFYKHE
SCGQCTPCREGTTWLLKAMDRFRTGQAKEREIDMLYELTKDIEGHTICAL
GDAAAWPIQGLIRNFRPEMETRMKKFHDEVGAVSVGGWMKDARVEKGKVV
GAPLP
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7o71 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7o71 High-resolution structure and dynamics of mitochondrial complex I-Insights into the proton pumping mechanism.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		P225 S380 C381 G382 Q383 C384 C387 T425 C427 L429
Binding residue
(residue number reindexed from 1)		P196 S351 C352 G353 Q354 C355 C358 T396 C398 L400
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0010181 FMN binding
GO:0046872 metal ion binding
GO:0051287 NAD binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0045271 respiratory chain complex I

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7o71, PDBe:7o71, PDBj:7o71
PDBsum7o71
PubMed34767441
UniProtF2Z660

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